5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one

C11H16N2O5 — CID 141176810

IUPAC5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(OCCO)CCOCC2)ncc1O
InChIInChI=1S/C11H16N2O5/c14-3-6-18-11(1-4-17-5-2-11)10-12-7-8(15)9(16)13-10/h7,14-15H,1-6H2,(H,12,13,16)
InChIKeyHFJCTGINAOUSNO-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.51
Rot. Bonds4

About 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one

5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one (PubChem CID 141176810) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one
PubChem CID141176810
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(OCCO)CCOCC2)ncc1O
InChIInChI=1S/C11H16N2O5/c14-3-6-18-11(1-4-17-5-2-11)10-12-7-8(15)9(16)13-10/h7,14-15H,1-6H2,(H,12,13,16)
InChIKeyHFJCTGINAOUSNO-UHFFFAOYSA-N
XLogP-0.51
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one (CID 141176810) is 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one is O=c1[nH]c(C2(OCCO)CCOCC2)ncc1O.
What is the InChIKey of 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one?
The InChIKey is HFJCTGINAOUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-3-6-18-11(1-4-17-5-2-11)10-12-7-8(15)9(16)13-10/h7,14-15H,1-6H2,(H,12,13,16).
What are the key properties of 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one?
5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one has a molecular weight of 256.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-(2-hydroxyethoxy)oxan-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 141176810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).